(3R)-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide

C21H31N3O4 — CID 97150495

IUPAC(3R)-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCOc1cccc(CN2C[C@H](C(=O)NCC3(O)CCN(C)CC3)CCC2=O)c1
InChIInChI=1S/C21H31N3O4/c1-23-10-8-21(27,9-11-23)15-22-20(26)17-6-7-19(25)24(14-17)13-16-4-3-5-18(12-16)28-2/h3-5,12,17,27H,6-11,13-15H2,1-2H3,(H,22,26)/t17-/m1/s1
InChIKeyJIJUAOINUMJNMP-QGZVFWFLSA-N
MW389.50 g/mol
LogP1.01
Rot. Bonds6

About (3R)-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide

(3R)-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 97150495) has the molecular formula C21H31N3O4 and a molecular weight of 389.50 g/mol. Its IUPAC name is (3R)-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID97150495
Molecular FormulaC21H31N3O4
Molecular Weight389.50 g/mol
Exact Mass389.23
IUPAC Name(3R)-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCOc1cccc(CN2C[C@H](C(=O)NCC3(O)CCN(C)CC3)CCC2=O)c1
InChIInChI=1S/C21H31N3O4/c1-23-10-8-21(27,9-11-23)15-22-20(26)17-6-7-19(25)24(14-17)13-16-4-3-5-18(12-16)28-2/h3-5,12,17,27H,6-11,13-15H2,1-2H3,(H,22,26)/t17-/m1/s1
InChIKeyJIJUAOINUMJNMP-QGZVFWFLSA-N
XLogP1.01
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide with MolForge

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Related Compounds

N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 45187533
(3R)-1-[(3-methoxyphenyl)methyl]-N-[2-(5-methylfuran-2-yl)ethyl]-6-oxopiperidine-3-carboxamide
CID 42515969
5-(azepane-1-carbonyl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one
CID 24790814
(3R)-1-[(3-methoxyphenyl)methyl]-6-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide
CID 136748664
1-[(3-methoxyphenyl)methyl]-6-oxo-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
CID 24791595
4-[(3S)-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]piperazin-2-one
CID 29022609
4-[1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]piperazin-2-one
CID 45241287
4-[(3R)-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]piperazin-2-one
CID 29022610
1-[(3-methoxyphenyl)methyl]-5-(spiro[indene-1,4'-piperidine]-1'-carbonyl)piperidin-2-one
CID 45222993
(3S)-1-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 9146852
N-[(3-methoxyphenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985796
(3S)-N-[(1-hydroxycyclohexyl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
CID 25293036

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide (CID 97150495) is (3R)-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide is COc1cccc(CN2C[C@H](C(=O)NCC3(O)CCN(C)CC3)CCC2=O)c1.
What is the InChIKey of (3R)-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is JIJUAOINUMJNMP-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H31N3O4/c1-23-10-8-21(27,9-11-23)15-22-20(26)17-6-7-19(25)24(14-17)13-16-4-3-5-18(12-16)28-2/h3-5,12,17,27H,6-11,13-15H2,1-2H3,(H,22,26)/t17-/m1/s1.
What are the key properties of (3R)-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide?
(3R)-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 97150495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).